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Generation, structure and reactivity of arynes: A theoretical study

✍ Scribed by Peter G. S. Dkhar; R. H. Duncan Lyngdoh

Book ID
110638259
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2000
Tongue
English
Weight
120 KB
Volume
112
Category
Article
ISSN
0253-4134

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Second-harmonic generation and electronic structure of polymethineimines: a theoretical study
✍ I.D.L. Albert; Puspendu K. Das; S. Ramasesha πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 581 KB

The second-harmonic-generation (SHG) coefficients and properties of low-lying electronic states in polymethineimines (-CH=N-), up to x= 5 are calculated exactly withm the PPP (Pariser-Parr-Pople) Hamiltonian. The sp2 hybridized nitrogenatom parameters for the PPP model are taken from the literature